A density functional study of the structure of tethered chains in a binary mixture
A density functional study of the structure of a layer formed by chain molecules pinned to a solid surface is presented. The chains are modeled as freely joined spheres. Segments and all components interact via Lennard-Jones (12-6) potential. The interactions of fluid molecules with the wall are des...
Збережено в:
| Дата: | 2012 |
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| Автори: | , |
| Формат: | Стаття |
| Мова: | English |
| Опубліковано: |
Інститут фізики конденсованих систем НАН України
2012
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| Назва видання: | Condensed Matter Physics |
| Онлайн доступ: | http://dspace.nbuv.gov.ua/handle/123456789/120280 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Цитувати: | A density functional study of the structure of tethered chains in a binary mixture / M. Borówko, T. Staszewski // Condensed Matter Physics. — 2012. — Т. 15, № 2. — С. 23603:1-12. — Бібліогр.: 57 назв. — англ. |
Репозитарії
Digital Library of Periodicals of National Academy of Sciences of Ukraine| id |
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irk-123456789-1202802017-06-12T03:03:39Z A density functional study of the structure of tethered chains in a binary mixture Borówko, M. Staszewski, T. A density functional study of the structure of a layer formed by chain molecules pinned to a solid surface is presented. The chains are modeled as freely joined spheres. Segments and all components interact via Lennard-Jones (12-6) potential. The interactions of fluid molecules with the wall are described by the Lennard-Jones (9-3) potential. We analyze how different parameters of the model affect the dependence of the brush height upon the mixture composition. We consider the effect of grafting density and the parameters characterizing the interactions of fluid molecules with the substrate and with the chains as well as interactions within the mixture. The changes in the brush height correlate with the adsorption of particular components. Метод функцiоналу густини використовується з метою дослiдження структури шару, утвореного ланцюж-ковими молекулами, якi прикрiпленi до твердої поверхнi. Ланцюжки моделюються як вiльно зв’язанi сфе-ри. Сегменти ланцюжкiв i всi компоненти взаємодiють за допомогою потенцiалу Леннарда-Джонса (12–6). Взаємодiї молекул плину зi стiнкою описуються потенцiалом Леннарда-Джонса (9–3). Ми аналiзуємо як рi-знi параметри моделi впливають на залежнiсть висоти щiтки вiд концентрацiї сумiшi. Ми розглядаємо вплив густини прищеплення i параметрiв, що характеризують взаємодiї молекул плину з пiдкладкою i з ланцюжками, як i з взаємодiями в сумiшi. Змiни висоти щiток корелюють з адсорбцiєю окремих компо-нент. 2012 Article A density functional study of the structure of tethered chains in a binary mixture / M. Borówko, T. Staszewski // Condensed Matter Physics. — 2012. — Т. 15, № 2. — С. 23603:1-12. — Бібліогр.: 57 назв. — англ. 1607-324X PACS: 68.47.Mn, 61.25.H, 68.47.Pe, 82.35.Gh DOI:10.5488/CMP.15.23603 arXiv:1207.3264 http://dspace.nbuv.gov.ua/handle/123456789/120280 en Condensed Matter Physics Інститут фізики конденсованих систем НАН України |
| institution |
Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| collection |
DSpace DC |
| language |
English |
| description |
A density functional study of the structure of a layer formed by chain molecules pinned to a solid surface is presented. The chains are modeled as freely joined spheres. Segments and all components interact via Lennard-Jones (12-6) potential. The interactions of fluid molecules with the wall are described by the Lennard-Jones (9-3) potential. We analyze how different parameters of the model affect the dependence of the brush height upon the mixture composition. We consider the effect of grafting density and the parameters characterizing the interactions of fluid molecules with the substrate and with the chains as well as interactions within the mixture. The changes in the brush height correlate with the adsorption of particular components. |
| format |
Article |
| author |
Borówko, M. Staszewski, T. |
| spellingShingle |
Borówko, M. Staszewski, T. A density functional study of the structure of tethered chains in a binary mixture Condensed Matter Physics |
| author_facet |
Borówko, M. Staszewski, T. |
| author_sort |
Borówko, M. |
| title |
A density functional study of the structure of tethered chains in a binary mixture |
| title_short |
A density functional study of the structure of tethered chains in a binary mixture |
| title_full |
A density functional study of the structure of tethered chains in a binary mixture |
| title_fullStr |
A density functional study of the structure of tethered chains in a binary mixture |
| title_full_unstemmed |
A density functional study of the structure of tethered chains in a binary mixture |
| title_sort |
density functional study of the structure of tethered chains in a binary mixture |
| publisher |
Інститут фізики конденсованих систем НАН України |
| publishDate |
2012 |
| url |
http://dspace.nbuv.gov.ua/handle/123456789/120280 |
| citation_txt |
A density functional study of the structure of tethered chains in a binary mixture / M. Borówko, T. Staszewski // Condensed Matter Physics. — 2012. — Т. 15, № 2. — С. 23603:1-12. — Бібліогр.: 57 назв. — англ. |
| series |
Condensed Matter Physics |
| work_keys_str_mv |
AT borowkom adensityfunctionalstudyofthestructureoftetheredchainsinabinarymixture AT staszewskit adensityfunctionalstudyofthestructureoftetheredchainsinabinarymixture AT borowkom densityfunctionalstudyofthestructureoftetheredchainsinabinarymixture AT staszewskit densityfunctionalstudyofthestructureoftetheredchainsinabinarymixture |
| first_indexed |
2023-10-18T20:36:25Z |
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2023-10-18T20:36:25Z |
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1796150644855275520 |